4-[1-ethyl-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C18H15N7O2S2 — CID 11750639

About 4-[1-ethyl-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[1-ethyl-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 11750639) has the molecular formula C18H15N7O2S2 and a molecular weight of 425.50 g/mol. Its IUPAC name is 4-[1-ethyl-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

• Compound Name: 4-[1-ethyl-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
• PubChem CID: 11750639
• Molecular Formula: C18H15N7O2S2
• Molecular Weight: 425.50 g/mol
• Exact Mass: 425.07
• IUPAC Name: 4-[1-ethyl-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
• SMILES: CCn1c(-c2nonc2N)nc2cnc(Sc3nc4cc(OC)ccc4s3)cc21
• InChI: InChI=1S/C18H15N7O2S2/c1-3-25-12-7-14(20-8-11(12)21-17(25)15-16(19)24-27-23-15)29-18-22-10-6-9(26-2)4-5-13(10)28-18/h4-8H,3H2,1-2H3,(H2,19,24)
• InChIKey: GFISZQNAOGLKDY-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 117.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.50
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?

The IUPAC name of 4-[1-ethyl-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 11750639) is 4-[1-ethyl-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

What is the SMILES notation for 4-[1-ethyl-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?

The canonical SMILES for 4-[1-ethyl-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is CCn1c(-c2nonc2N)nc2cnc(Sc3nc4cc(OC)ccc4s3)cc21.

What is the InChIKey of 4-[1-ethyl-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?

The InChIKey is GFISZQNAOGLKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2S2/c1-3-25-12-7-14(20-8-11(12)21-17(25)15-16(19)24-27-23-15)29-18-22-10-6-9(26-2)4-5-13(10)28-18/h4-8H,3H2,1-2H3,(H2,19,24).

What are the key properties of 4-[1-ethyl-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?

4-[1-ethyl-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 425.50 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-ethyl-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 11750639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).